(+)-(11R,2'S)-erythro-mefloquine

Properties Image MNX_ID MNXM30030 reference chebi:63684 formula C17H16F6N2O global charge 0 mol weight 378.316 InChIKey XEEQGYMUWCZPDN-SWLSCSKDSA-N InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1 SMILES O[C@H](C1=CC(C(F)(F)F)=NC2=C(C(F)(F)F)C=CC=C12)[C@@H]1CCCCN1 MNX internals InChI (mnx) InChI=1/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH2:7][NH:24][C@H:12]([C@@H:15]([C:10]2=[C:9]3[CH:4]=[CH:3][CH:5]=[C:11]([C:16]([F:18])([F:19])[F:20])[C:14]3=[N:25][C:13]([C:17]([F:21])([F:22])[F:23])=[CH:8]2)[OH:26])[CH2:6]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0